Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010457

Phytochemical name: (2r)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one

Synonymous chemical names:
(+)-taxifolin, (+)taxifolin

External chemical identifiers:
CID:CID_10185, ChEMBL:CHEMBL1492383, SureChEMBL:SCHEMBL7628142

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Chemical structure information

SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)C(C(=O)c2c(c1)O)O

InChI:
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14?,15-/m1/s1

InChIKey:
CXQWRCVTCMQVQX-YSSOQSIOSA-N

DeepSMILES:
OcccO[C@H]cccccc6)O))O)))))CC=O)c6cc%10)O))))O

Functional groups:
cO, cOC, cC(=O)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 2.298

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Chemical structure download